2-Methyl-1,2-thiazol-3(2H)-one - 5-chloro-2-methyl-1,2-thiazol-3(2H)-one (1:1) | CAS No. 96118-96-6

2-Methyl-1,2-thiazol-3(2H)-one - 5-chloro-2-methyl-1,2-thiazol-3(2H)-one (1:1)

Basic Information

CAS Number

96118-96-6

Molecular Formula

C8H9ClN2O2S2

Molecular Weight

264.76 g/mol

AD

Basic Physical Properties

Cn1c(=O)ccs1.Cn1c(=O)cc(s1)Cl

InChI

InChI=1S/C4H4ClNOS.C4H5NOS/c1-6-4(7)2-3(5)8-6;1-5-4(6)2-3-7-5/h2H,1H3;2-3H,1H3

InChIKey

QYYMDNHUJFIDDQ-UHFFFAOYSA-N

LogP

1.547

Topological Polar Surface Area

44.0 Ų

Hydrogen Bond Donor/Acceptor

0 / 4

Synonyms & References

English

  • ISOTHIAZOLINONE (MIT, CMIT)
  • 5-chloro-2-methyl-1,2-thiazol-3-one
  • 5-Chloro-2-methyl-4-isothiazolin-3-one-2-methyl-4-isothiazolin-3-one mixt.
  • Isothiazolinone
  • MIT
  • CMIT
  • 5-Chloro-2-methyl-4-isothiazolin-3-one
  • 2-methyl-4-isothiazolin-3-one
  • CIT
  • MIT-1.5
  • MIT-2.5
  • MIT-3
  • MIT-7

FAQ

What are the physical and chemical properties of 5-Chloro-2-methyl-1,2-thiazol-3(2H)-one (CAS: 96118-96-6)?

5-Chloro-2-methyl-1,2-thiazol-3(2H)-one (CAS: 96118-96-6) is a white crystalline solid with a molecular weight of approximately 165.01 g/mol. It is slightly soluble in water and more soluble in organic solvents. The compound is known for its high reactivity, particularly in nucleophilic substitution reactions. It is stable under normal conditions but should be stored away from moisture and heat to prevent degradation.

How is 5-Chloro-2-methyl-1,2-thiazol-3(2H)-one (CAS: 96118-96-6) typically synthesized?

5-Chloro-2-methyl-1,2-thiazol-3(2H)-one (CAS: 96118-96-6) is typically synthesized via a condensation reaction between chloroacetyl chloride and 2-methylthiazole. The reaction is catalyzed by anhydrous aluminum chloride. The yield is around 85%, and the product is isolated by recrystallization from ethanol. The reaction is conducted under anhydrous conditions to ensure high purity and selectivity.

What industries use 5-Chloro-2-methyl-1,2-thiazol-3(2H)-one (CAS: 96118-96-6)?

5-Chloro-2-methyl-1,2-thiazol-3(2H)-one (CAS: 96118-96-6) is used in various industries, including pharmaceuticals, where it serves as an intermediate in the synthesis of bioactive compounds. It is also used in the preparation of certain dyes and pigments, as well as in the synthesis of sensors and semiconductors due to its unique electronic properties.

What precautions should be taken when handling 5-Chloro-2-methyl-1,2-thiazol-3(2H)-one (CAS: 96118-96-6)?

When handling 5-Chloro-2-methyl-1,2-thiazol-3(2H)-one (CAS: 96118-96-6), it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Handle in a well-ventilated area or fume hood to avoid inhalation of vapors. Spills should be cleaned up using absorbent materials and disposed of according to local regulations. Refer to the Safety Data Sheet (SDS) for detailed information on safe handling and disposal.

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